2-[(3S)-3-aminopyrrolidin-1-yl]-1-piperidin-1-ylethanone;hydrochloride

C11H22ClN3O — CID 119933833

IUPAC2-[(3S)-3-aminopyrrolidin-1-yl]-1-piperidin-1-ylethanone;hydrochloride
SMILESCl.N[C@H]1CCN(CC(=O)N2CCCCC2)C1
InChIInChI=1S/C11H21N3O.ClH/c12-10-4-7-13(8-10)9-11(15)14-5-2-1-3-6-14;/h10H,1-9,12H2;1H/t10-;/m0./s1
InChIKeyBONQNVYLXUTDGA-PPHPATTJSA-N
MW247.77 g/mol
LogP0.45
Rot. Bonds2

About 2-[(3S)-3-aminopyrrolidin-1-yl]-1-piperidin-1-ylethanone;hydrochloride

2-[(3S)-3-aminopyrrolidin-1-yl]-1-piperidin-1-ylethanone;hydrochloride (PubChem CID 119933833) has the molecular formula C11H22ClN3O and a molecular weight of 247.77 g/mol. Its IUPAC name is 2-[(3S)-3-aminopyrrolidin-1-yl]-1-piperidin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[(3S)-3-aminopyrrolidin-1-yl]-1-piperidin-1-ylethanone;hydrochloride
PubChem CID119933833
Molecular FormulaC11H22ClN3O
Molecular Weight247.77 g/mol
Exact Mass247.15
IUPAC Name2-[(3S)-3-aminopyrrolidin-1-yl]-1-piperidin-1-ylethanone;hydrochloride
SMILESCl.N[C@H]1CCN(CC(=O)N2CCCCC2)C1
InChIInChI=1S/C11H21N3O.ClH/c12-10-4-7-13(8-10)9-11(15)14-5-2-1-3-6-14;/h10H,1-9,12H2;1H/t10-;/m0./s1
InChIKeyBONQNVYLXUTDGA-PPHPATTJSA-N
XLogP0.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 94340668
2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone
CID 61296313
1-[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride
CID 119905154
1-[2-[(3S)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride
CID 119933651
2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 62068636
2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 119909444
1-(azepan-1-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 78962281
1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62917489
(3S)-1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 81125475
2-(4-aminopiperidin-1-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107222871
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 175826880
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 112630179

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-1-piperidin-1-ylethanone;hydrochloride?
The IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-1-piperidin-1-ylethanone;hydrochloride (CID 119933833) is 2-[(3S)-3-aminopyrrolidin-1-yl]-1-piperidin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-[(3S)-3-aminopyrrolidin-1-yl]-1-piperidin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-[(3S)-3-aminopyrrolidin-1-yl]-1-piperidin-1-ylethanone;hydrochloride is Cl.N[C@H]1CCN(CC(=O)N2CCCCC2)C1.
What is the InChIKey of 2-[(3S)-3-aminopyrrolidin-1-yl]-1-piperidin-1-ylethanone;hydrochloride?
The InChIKey is BONQNVYLXUTDGA-PPHPATTJSA-N. The full InChI is InChI=1S/C11H21N3O.ClH/c12-10-4-7-13(8-10)9-11(15)14-5-2-1-3-6-14;/h10H,1-9,12H2;1H/t10-;/m0./s1.
What are the key properties of 2-[(3S)-3-aminopyrrolidin-1-yl]-1-piperidin-1-ylethanone;hydrochloride?
2-[(3S)-3-aminopyrrolidin-1-yl]-1-piperidin-1-ylethanone;hydrochloride has a molecular weight of 247.77 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopyrrolidin-1-yl]-1-piperidin-1-ylethanone;hydrochloride is sourced from PubChem (CID 119933833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).